3a,7a-dihydro-3H-pyrrolo[3,2-b]pyridine

C7H8N2 — CID 91174119

IUPAC3a,7a-dihydro-3H-pyrrolo[3,2-b]pyridine
SMILESC1=CC2N=CCC2N=C1
InChIInChI=1S/C7H8N2/c1-2-6-7(8-4-1)3-5-9-6/h1-2,4-7H,3H2
InChIKeyCVBHVCHRNHLULU-UHFFFAOYSA-N
MW120.15 g/mol
LogP0.84
Rot. Bonds

About 3a,7a-dihydro-3H-pyrrolo[3,2-b]pyridine

3a,7a-dihydro-3H-pyrrolo[3,2-b]pyridine (PubChem CID 91174119) has the molecular formula C7H8N2 and a molecular weight of 120.15 g/mol. Its IUPAC name is 3a,7a-dihydro-3H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name3a,7a-dihydro-3H-pyrrolo[3,2-b]pyridine
PubChem CID91174119
Molecular FormulaC7H8N2
Molecular Weight120.15 g/mol
Exact Mass120.07
IUPAC Name3a,7a-dihydro-3H-pyrrolo[3,2-b]pyridine
SMILESC1=CC2N=CCC2N=C1
InChIInChI=1S/C7H8N2/c1-2-6-7(8-4-1)3-5-9-6/h1-2,4-7H,3H2
InChIKeyCVBHVCHRNHLULU-UHFFFAOYSA-N
XLogP0.84
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,7a-dihydro-4aH-pyrrolo[3,4-b]pyridine
CID 17848308
7,7a-dihydro-3H-pyrrolo[2,3-c]pyridine
CID 91086728
7,7a-dihydro-4aH-cyclopenta[b]pyrazine
CID 91295956
5,7a-dihydro-3H-indole
CID 91419055
7,7a-dihydro-4aH-pyrrolo[3,4-b]pyridine
CID 91802564
2-propyl-2H-pyrrole
CID 140269705
2-(2H-pyrrol-2-yl)-2,3-dihydropyridine
CID 143230392
2-methyl-2,3-dihydropyridine;2-methyl-3,4-dihydro-2H-pyrrole
CID 158931193
2-(2H-pyrrol-2-ylmethyl)-2H-pyrrole
CID 12107146
2-(2,3-Dihydropyridin-2-yl)-2,3-dihydropyridine
CID 20606799
CID 101548148
CID 101548148
7,7a-dihydro-4H-indole
CID 173072473

Frequently Asked Questions

What is the IUPAC name of 3a,7a-dihydro-3H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 3a,7a-dihydro-3H-pyrrolo[3,2-b]pyridine (CID 91174119) is 3a,7a-dihydro-3H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 3a,7a-dihydro-3H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 3a,7a-dihydro-3H-pyrrolo[3,2-b]pyridine is C1=CC2N=CCC2N=C1.
What is the InChIKey of 3a,7a-dihydro-3H-pyrrolo[3,2-b]pyridine?
The InChIKey is CVBHVCHRNHLULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2/c1-2-6-7(8-4-1)3-5-9-6/h1-2,4-7H,3H2.
What are the key properties of 3a,7a-dihydro-3H-pyrrolo[3,2-b]pyridine?
3a,7a-dihydro-3H-pyrrolo[3,2-b]pyridine has a molecular weight of 120.15 g/mol, XLogP of 0.84, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,7a-dihydro-3H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 91174119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).